(E)-tetradec-1-ene-1-sulfonic acid

C14H28O3S — CID 6437821

IUPAC(E)-tetradec-1-ene-1-sulfonic acid
SMILESCCCCCCCCCCCC/C=C/S(=O)(=O)O
InChIInChI=1S/C14H28O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(15,16)17/h13-14H,2-12H2,1H3,(H,15,16,17)/b14-13+
InChIKeyGHYAHFJIQRUUFA-BUHFOSPRSA-N
MW276.44 g/mol
LogP4.70
Rot. Bonds12

About (E)-tetradec-1-ene-1-sulfonic acid

(E)-tetradec-1-ene-1-sulfonic acid (PubChem CID 6437821) has the molecular formula C14H28O3S and a molecular weight of 276.44 g/mol. Its IUPAC name is (E)-tetradec-1-ene-1-sulfonic acid.

Molecular Properties

Compound Name(E)-tetradec-1-ene-1-sulfonic acid
PubChem CID6437821
Molecular FormulaC14H28O3S
Molecular Weight276.44 g/mol
Exact Mass276.18
IUPAC Name(E)-tetradec-1-ene-1-sulfonic acid
SMILESCCCCCCCCCCCC/C=C/S(=O)(=O)O
InChIInChI=1S/C14H28O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(15,16)17/h13-14H,2-12H2,1H3,(H,15,16,17)/b14-13+
InChIKeyGHYAHFJIQRUUFA-BUHFOSPRSA-N
XLogP4.70
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.44
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-tetradec-1-ene-1-sulfonic acid?
The IUPAC name of (E)-tetradec-1-ene-1-sulfonic acid (CID 6437821) is (E)-tetradec-1-ene-1-sulfonic acid.
What is the SMILES notation for (E)-tetradec-1-ene-1-sulfonic acid?
The canonical SMILES for (E)-tetradec-1-ene-1-sulfonic acid is CCCCCCCCCCCC/C=C/S(=O)(=O)O.
What is the InChIKey of (E)-tetradec-1-ene-1-sulfonic acid?
The InChIKey is GHYAHFJIQRUUFA-BUHFOSPRSA-N. The full InChI is InChI=1S/C14H28O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(15,16)17/h13-14H,2-12H2,1H3,(H,15,16,17)/b14-13+.
What are the key properties of (E)-tetradec-1-ene-1-sulfonic acid?
(E)-tetradec-1-ene-1-sulfonic acid has a molecular weight of 276.44 g/mol, XLogP of 4.70, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-tetradec-1-ene-1-sulfonic acid is sourced from PubChem (CID 6437821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).